butyl 4-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate

Systemtic Name: butyl 4-[3-(6-bromanyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]benzoate Openeye Name: butyl 4-[3-(6-bromo-4-oxo-quinazolin-3-yl)propanoylamino]benzoate CAS Name: 4-[[3-(6-bromo-4-oxo-3-quinazolinyl)-1-oxopropyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[3-(6-bromo-4-oxoquinazolin-3-yl)propanoylamino]benzoate Traditional Name: 4-[3-(6-bromo-4-keto-quinazolin-3-yl)propanoylamino]benzoic acid butyl ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3O4/c1-2-3-12-30-22(29)15-4-7-17(8-5-15)25-20(27)10-11-26-14-24-19-9-6-16(23)13-18(19)21(26)28/h4-9,13-14H,2-3,10-12H2,1H3,(H,25,27)